3-bromo-5-nitro-2-(triazol-1-yl)pyridine

C7H4BrN5O2 — CID 133054234

IUPAC3-bromo-5-nitro-2-(triazol-1-yl)pyridine
SMILESO=[N+]([O-])c1cnc(-n2ccnn2)c(Br)c1
InChIInChI=1S/C7H4BrN5O2/c8-6-3-5(13(14)15)4-9-7(6)12-2-1-10-11-12/h1-4H
InChIKeyXUIPZYYVAWSROT-UHFFFAOYSA-N
MW270.05 g/mol
LogP1.33
Rot. Bonds2

About 3-bromo-5-nitro-2-(triazol-1-yl)pyridine

3-bromo-5-nitro-2-(triazol-1-yl)pyridine (PubChem CID 133054234) has the molecular formula C7H4BrN5O2 and a molecular weight of 270.05 g/mol. Its IUPAC name is 3-bromo-5-nitro-2-(triazol-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-nitro-2-(triazol-1-yl)pyridine
PubChem CID133054234
Molecular FormulaC7H4BrN5O2
Molecular Weight270.05 g/mol
Exact Mass268.95
IUPAC Name3-bromo-5-nitro-2-(triazol-1-yl)pyridine
SMILESO=[N+]([O-])c1cnc(-n2ccnn2)c(Br)c1
InChIInChI=1S/C7H4BrN5O2/c8-6-3-5(13(14)15)4-9-7(6)12-2-1-10-11-12/h1-4H
InChIKeyXUIPZYYVAWSROT-UHFFFAOYSA-N
XLogP1.33
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-5-nitro-2-(triazol-1-yl)pyridine
CID 133058094
5-bromo-3-nitro-2-(triazol-1-yl)pyridine
CID 133061285
1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol
CID 79523536
1-(3-bromo-5-nitro-2-pyridinyl)-3-methylpyrazole-4-carboxylic acid
CID 79523815
3-bromo-2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine
CID 79523372
1-(3-bromo-5-nitro-2-pyridinyl)-3,5-dimethylpiperazine
CID 79535406
(3S,5R)-1-(3-bromo-5-nitro-2-pyridinyl)-3,5-dimethylpiperazine
CID 126816100
5-(3-bromo-5-nitro-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 79523358
1-(3-bromo-5-nitro-2-pyridinyl)-5-methylpiperidin-3-amine
CID 79994412
(2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965048
8-(3-bromo-5-nitro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 79699313
3-bromo-N-tert-butyl-5-nitropyridin-2-amine
CID 82488870

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitro-2-(triazol-1-yl)pyridine?
The IUPAC name of 3-bromo-5-nitro-2-(triazol-1-yl)pyridine (CID 133054234) is 3-bromo-5-nitro-2-(triazol-1-yl)pyridine.
What is the SMILES notation for 3-bromo-5-nitro-2-(triazol-1-yl)pyridine?
The canonical SMILES for 3-bromo-5-nitro-2-(triazol-1-yl)pyridine is O=[N+]([O-])c1cnc(-n2ccnn2)c(Br)c1.
What is the InChIKey of 3-bromo-5-nitro-2-(triazol-1-yl)pyridine?
The InChIKey is XUIPZYYVAWSROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN5O2/c8-6-3-5(13(14)15)4-9-7(6)12-2-1-10-11-12/h1-4H.
What are the key properties of 3-bromo-5-nitro-2-(triazol-1-yl)pyridine?
3-bromo-5-nitro-2-(triazol-1-yl)pyridine has a molecular weight of 270.05 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-nitro-2-(triazol-1-yl)pyridine is sourced from PubChem (CID 133054234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).